CID 61613452

N-(2-phenoxyethyl)oxan-4-amine hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1COCCC1NCCOC2=CC=CC=C2
InChI
InChI=1S/C13H19NO2/c1-2-4-13(5-3-1)16-11-8-14-12-6-9-15-10-7-12/h1-5,12,14H,6-11H2
InChIKey
IFLILLCCENHNNQ-UHFFFAOYSA-N
Compound name
N-(2-phenoxyethyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 149.9
[M+Na]+ 244.13081 152.9
[M-H]- 220.13431 155.8
[M+NH4]+ 239.17541 165.8
[M+K]+ 260.10475 151.9
[M+H-H2O]+ 204.13885 142.0
[M+HCOO]- 266.13979 170.9
[M+CH3COO]- 280.15544 188.9
[M+Na-2H]- 242.11626 156.8
[M]+ 221.14104 147.1
[M]- 221.14214 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe